Application of the frozen atom approximation to the GB/SA continuum model for solvation free energy

Journal of Computational Chemistry

Volumn 23, Issue 2, 2002, Pages 214-221

  Guvench, Olgun ^a   Weiser, Jrg ^a   Shenkin, Peter ^b   Kolossvary, Istvan ^c   Clark Still, W ^d  

^a SCHRÖDINGER INC   (United States)

^b Anterio Consult and Research GmbH   (Germany)

^c NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH   (United States)

^d Och Spine at New York Presbyterian Hospitals   (United States)

Author keywords

Continuum solvation; Frozen atoms; GB SA; Generalized Born (GB); Solvation free energy; Solvent accessible surface area (SASA)

Indexed keywords

PROTEIN; WATER;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; MACROMOLECULE; SOLUBILITY; THERMODYNAMICS;

MACROMOLECULAR SUBSTANCES; MODELS, MOLECULAR; PROTEINS; SOLUBILITY; THERMODYNAMICS; WATER;

EID: 0037196341     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.1167     Document Type: Article

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